File name: Pandora55s1_QueensNY_20220524_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T121219.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c19p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v19d20211111.txt Level 1 file used: Pandora55s1_QueensNY_20220524_L1_smca1c19d20211111p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20220524 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0379 305.1778 305.3178 305.4578 305.5977 305.7376 305.8776 306.0175 306.1574 306.2973 306.4372 306.5770 306.7169 306.8567 306.9966 307.1364 307.2762 307.4160 307.5558 307.6956 307.8354 307.9752 308.1149 308.2547 308.3944 308.5341 308.6738 308.8135 308.9532 309.0929 309.2326 309.3723 309.5119 309.6515 309.7912 309.9308 310.0704 310.2100 310.3496 310.4892 310.6287 310.7683 310.9079 311.0474 311.1869 311.3264 311.4659 311.6054 311.7449 311.8844 312.0239 312.1633 312.3028 312.4422 312.5816 312.7210 312.8604 312.9998 313.1392 313.2786 313.4179 313.5573 313.6966 313.8360 313.9753 314.1146 314.2539 314.3932 314.5324 314.6717 314.8110 314.9502 315.0895 315.2287 315.3679 315.5071 315.6463 315.7855 315.9246 316.0638 316.2030 316.3421 316.4812 316.6204 316.7595 316.8986 317.0377 317.1767 317.3158 317.4549 317.5939 317.7329 317.8720 318.0110 318.1500 318.2890 318.4280 318.5669 318.7059 318.8449 318.9838 319.1227 319.2617 319.4006 319.5395 319.6784 319.8172 319.9561 320.0950 320.2338 320.3726 320.5115 320.6503 320.7891 320.9279 321.0667 321.2054 321.3442 321.4830 321.6217 321.7604 321.8991 322.0379 322.1766 322.3152 322.4539 322.5926 322.7312 322.8699 323.0085 323.1471 323.2857 323.4243 323.5629 323.7015 323.8401 323.9786 324.1172 324.2557 324.3943 324.5328 324.6713 324.8098 324.9483 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20220524T132939.8Z 8179.562266 252 1 39.11 2 47.06 99.24 48.80 197.53 0.00 1 0.00 1 0 25 1.096e-02 6.856e-03 2.366e-03 1.434e-03 2.055952e-01 7.625916e-04 2.460348e-03 -6.000000e+00 6.582886e-03 231.64 -2.00 3.51 -2.00 315.45 0.00e+00 -2.107271e-04 7.181573e-05 2.894542e-05 -6.000000e+00 2.898837e-04 284.55 -2.00 20.00 -2.00 314.78 0.00e+00 1.465 0.000 302.00 328.00 3 4.4908e+00 1.9783e-03 1.8191e-02 -6.0000e+00 1.6483e-02 3.1054e-02 2.1953e-03 1.0648e-02 -6.0000e+00 1.7815e-02 2.3314e-03 1.2522e-03 5.1687e-03 -6.0000e+00 1.0600e-02 -3.7003e-03 5.4943e-04 1.4168e-03 -6.0000e+00 4.4173e-03 1.0811e-03 2.1067e-05 4.3991e-05 1.9881e-05 -6.0000e+00 3.2771e-04 -1.3868e-03 1.5517e-04 12 9 1 12 33 1 99.74 22.83 0.13 -0.00139 -0.00123 16 4 1 5 0 2290.270 25.68 20.00 22.83 23.70 32.2 1100.00 -2173 -1097 1524 -6531 -1636 1082 28 4114 229 -832 -987 434 -331 655 2310 -1227 -1564 575 1854 1171 1080 351 1487 -105 207 199 144 -1113 -602 380 1227 1716 675 -2494 -1222 2249 -491 -366 1568 -74 -1203 -64 -1922 -1391 -939 -1120 -1289 -349 -543 847 306 237 490 1381 453 558 1209 548 1188 1009 1261 1624 843 132 -371 -430 -121 300 949 579 -118 -394 -233 -510 -187 -229 207 1158 1026 -122 -287 -487 -1241 -962 -1413 -987 -977 -467 -674 -222 -241 -57 330 1194 1363 889 478 691 -285 -617 -277 -472 224 1131 36 -476 -409 -1004 -23 434 130 -650 117 -328 -155 597 590 703 520 -115 -597 -384 66 44 314 161 495 1093 654 159 431 178 155 134 199 -432 105 5 -332 -355 -117 -312 -123 -238 -571 -307 426 -1874 -421 258 7 1054 66 -251 -301 131 -106 227 865 -503 -665 246 802 522 488 161 678 -50 101 100 73 -551 -285 172 555 803 335 -1293 -619 1082 -246 -199 946 -50 -877 -48 -1496 -1091 -734 -875 -996 -264 -403 619 227 182 389 1123 380 473 1038 473 1018 860 1080 1423 776 127 -362 -412 -110 262 827 532 -115 -402 -242 -528 -189 -220 187 987 863 -107 -268 -484 -1299 -1039 -1582 -1144 -1175 -576 -844 -276 -292 -66 361 1246 1406 950 538 822 -357 -792 -351 -578 263 1300 43 -587 -521 -1315 -31 593 183 -938 168 -462 -209 768 736 875 663 -153 -823 -537 92 60 419 210 626 1345 806 202 566 240 211 185 280 -628 156 7 -509 -546 -178 -468 -181 -347 SS 20220524T133936.3Z 8179.569170 255 1 50.93 2 45.20 101.18 49.37 200.65 0.00 1 0.00 1 0 17 1.443e-02 8.332e-03 2.971e-03 1.718e-03 2.011872e-01 9.128989e-04 2.394572e-03 -6.000000e+00 8.659810e-03 231.64 -2.00 3.51 -2.00 315.61 0.00e+00 -4.245272e-04 8.871415e-05 2.827330e-05 -6.000000e+00 3.814349e-04 284.55 -2.00 20.00 -2.00 314.92 0.00e+00 1.417 0.000 302.00 328.00 3 5.1521e+00 2.3716e-03 1.7660e-02 -6.0000e+00 2.1683e-02 3.6475e-02 2.6339e-03 1.0407e-02 -6.0000e+00 2.3438e-02 7.0365e-03 1.5035e-03 5.0459e-03 -6.0000e+00 1.3945e-02 -6.8920e-03 6.6386e-04 1.4022e-03 -6.0000e+00 5.8094e-03 5.8827e-04 -2.0655e-04 5.2930e-05 1.9087e-05 -6.0000e+00 4.3128e-04 -6.9541e-04 8.6263e-05 11 9 0 11 32 0 99.87 22.84 1.16 -0.00070 -0.00225 16 3 1 5 0 3182.650 25.68 20.01 22.84 23.61 32.3 1100.00 2916 -752 3633 -2688 -2596 6641 -497 4630 -702 -1482 -2039 363 -2256 -83 2770 -2918 -3985 -1016 2266 1233 1126 -326 1159 -1477 497 -1186 3165 -1244 122 2190 -234 1150 168 -3579 -1022 3466 -745 -803 1957 392 -2419 32 -2285 -1984 -1373 141 -1997 292 -126 1244 -380 -281 -64 1760 1381 1281 1825 846 1763 1201 1297 2319 1081 -395 -410 -864 94 -23 1065 905 -312 -668 356 -777 241 -392 359 1322 515 -318 -325 -151 -1341 -716 -1248 -1074 -1366 -438 -489 -302 -483 -111 330 1108 1180 718 195 801 -446 -387 -277 -646 287 1356 262 -547 -84 -675 13 -307 341 -946 245 -320 -427 106 296 1279 395 -93 -773 -303 261 671 59 222 242 1010 492 -16 519 415 258 241 445 -270 391 -131 -296 -225 -309 -538 -138 -358 688 -197 931 -699 -627 1401 -114 1102 -191 -425 -591 104 -695 -28 983 -1159 -1654 -421 938 527 489 -144 509 -680 235 -584 1512 -596 55 940 -102 519 81 -1799 -497 1587 -361 -426 1151 260 -1762 24 -1770 -1551 -1066 109 -1536 217 -92 891 -279 -213 -50 1412 1139 1074 1549 723 1493 1014 1102 2013 991 -380 -401 -828 85 -20 918 824 -306 -684 369 -805 242 -377 321 1109 427 -275 -302 -149 -1404 -774 -1400 -1252 -1657 -545 -616 -377 -589 -129 362 1151 1212 764 221 956 -562 -499 -352 -793 336 1555 310 -677 -108 -889 17 -426 485 -1383 356 -454 -580 138 371 1589 507 -125 -1074 -426 365 923 79 290 307 1241 608 -21 682 559 352 334 628 -394 584 -200 -458 -349 -475 -816 -205 -528 SS 20220524T134558.8Z 8179.573598 259 1 49.67 2 44.02 102.47 49.78 202.62 0.00 1 0.00 1 0 17 1.231e-02 7.113e-03 2.485e-03 1.493e-03 1.966706e-01 7.938877e-04 2.363179e-03 -6.000000e+00 7.394145e-03 231.64 -2.00 3.51 -2.00 315.49 0.00e+00 8.513584e-05 7.527726e-05 4.581813e-05 -6.000000e+00 3.256070e-04 284.55 -2.00 20.00 -2.00 314.81 0.00e+00 1.389 0.000 302.00 328.00 3 4.9019e+00 2.0609e-03 1.7316e-02 -6.0000e+00 1.8514e-02 3.3594e-02 2.2876e-03 1.0213e-02 -6.0000e+00 2.0010e-02 4.8538e-04 1.3044e-03 4.9593e-03 -6.0000e+00 1.1906e-02 -2.8033e-03 5.7236e-04 1.3637e-03 -6.0000e+00 4.9617e-03 7.8442e-04 -4.5421e-05 4.5917e-05 1.9201e-05 -6.0000e+00 3.6809e-04 -1.7676e-03 1.4314e-04 11 9 0 11 32 0 99.91 22.84 0.52 -0.00177 -0.00211 23 4 1 5 0 2159.290 25.68 19.98 22.84 23.66 32.5 1100.00 -2042 287 -3796 -7014 -1135 2155 -873 4323 644 -854 -1833 277 -287 -96 3024 -1769 1236 68 2488 1648 1950 484 1261 -643 138 -720 2219 -1048 63 265 791 1946 469 -2518 -599 2770 -597 -514 1202 -127 -2069 -298 -1630 -1828 -1211 -127 -1540 -909 -85 989 -239 391 -10 1357 970 394 1770 538 1186 794 1387 1564 1025 -395 -327 -616 201 204 1258 370 -285 -285 82 -457 -109 -196 677 1135 341 -337 -710 -408 -1258 -943 -730 -993 -851 -307 -661 -359 -178 -376 356 930 1021 758 505 398 -281 -482 -293 -573 252 1077 22 -450 -183 -574 137 426 106 -662 -9 -230 -305 201 584 866 424 -2 -940 -259 185 216 205 252 336 1120 790 23 513 171 364 171 210 -199 207 119 -408 -500 -202 -618 -115 -132 -534 79 -1102 -2010 -288 502 -212 1087 182 -255 -554 83 -91 -33 1111 -723 512 29 1065 726 870 220 572 -303 67 -362 1093 -514 29 118 353 893 229 -1287 -296 1305 -294 -276 721 -85 -1517 -225 -1269 -1441 -949 -99 -1194 -688 -63 717 -177 298 -8 1100 808 334 1508 463 1013 676 1186 1369 943 -381 -320 -591 182 177 1087 339 -279 -292 85 -474 -110 -189 607 957 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